Geometry & MOs

Info

ID:	39593
PubChem CID:	8141507
Reduced:	ClN3O5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	0.83
IP(EA), eV:	-9.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(benzylamino)-5-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NN1C(=O)[C@](NC1=O)(C)C2=CC(=CC=C2)OC)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations